SCHEMBL17486161

SCHEMBL17486161

CC(C)(C)c1cc(C(C)(C)C)nc(-c2cnc(-c3ccc4c(c3)C(C)(C)OC4(C)C)c(F)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.34
ALOX5AP P20292 3/20 0.34
RPS6KA3 P51812 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20805761 0.86 JAK3 (0.33)
SCHEMBL17486133 0.84 TDO2 (0.31)
SCHEMBL17486108 0.84 FEN1 (0.41) FEN1ALOX5APCYP11B2
SCHEMBL17486172 0.78 ALOX5AP (0.36) FEN1ALOX5APRPS6KA3
SCHEMBL17486221 0.75 ALDH1A1 (0.37) FEN1ALOX5AP
SCHEMBL20805708 0.71 ALOX5AP (0.32) FEN1ALOX5AP
SCHEMBL17486308 0.67 FEN1 (0.36) FEN1ALOX5AP
SCHEMBL17486301 0.66 HSD17B1 (0.33)
SCHEMBL17485986 0.65 RARA (0.36)
SCHEMBL17486341 0.64 MEN1 (0.39)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 FEN1 1438/4885ALOX5AP 3433/4885RPS6KA3 3704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.